Crystallography Open Database

Information card for entry 7064398

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Coordinates	7064398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 N3 Ni O3 P
Calculated formula	C34 H32 N3 Ni O3 P
Title of publication	Direct access to 2-amino-3-cyano-4H-pyrans/4H-chromenes by [ONO]-pincer supported nickel(ii) phosphine complexes via dehydrogenative annulation of alcohols
Authors of publication	Kavin, Sekar Pranesh; Ramesh, Rengan
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	21
Pages of publication	9245 - 9251
a	11.9646 ± 0.001 Å
b	16.0861 ± 0.0012 Å
c	16.6355 ± 0.0015 Å
α	74.568 ± 0.007°
β	78.164 ± 0.008°
γ	79.707 ± 0.007°
Cell volume	2994.4 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2361
Residual factor for significantly intense reflections	0.1453
Weighted residual factors for significantly intense reflections	0.3398
Weighted residual factors for all reflections included in the refinement	0.412
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
306476 (current)	2026-06-05	cif/ Updating files of 7064398 Original log message: Adding full bibliography for 7064398.cif.	7064398.cif
305689	2026-05-02	cif/ Adding structures of 7064398 via cif-deposit CGI script.	7064398.cif